ChemSpider 2D Image | 2,4-Difluoro-N-(2-methoxy-5-{4-oxo-3-[3-(1H-pyrazol-1-yl)propyl]-3,4-dihydro-6-quinazolinyl}-3-pyridinyl)benzenesulfonamide | C26H22F2N6O4S

2,4-Difluoro-N-(2-methoxy-5-{4-oxo-3-[3-(1H-pyrazol-1-yl)propyl]-3,4-dihydro-6-quinazolinyl}-3-pyridinyl)benzenesulfonamide

  • Molecular FormulaC26H22F2N6O4S
  • Average mass552.552 Da
  • Monoisotopic mass552.139160 Da
  • ChemSpider ID90666056

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2,4-Difluor-N-(2-methoxy-5-{4-oxo-3-[3-(1H-pyrazol-1-yl)propyl]-3,4-dihydro-6-chinazolinyl}-3-pyridinyl)benzolsulfonamid [German] [ACD/IUPAC Name]
2,4-Difluoro-N-(2-methoxy-5-{4-oxo-3-[3-(1H-pyrazol-1-yl)propyl]-3,4-dihydro-6-quinazolinyl}-3-pyridinyl)benzenesulfonamide [ACD/IUPAC Name]
2,4-Difluoro-N-(2-méthoxy-5-{4-oxo-3-[3-(1H-pyrazol-1-yl)propyl]-3,4-dihydro-6-quinazolinyl}-3-pyridinyl)benzènesulfonamide [French] [ACD/IUPAC Name]
Benzenesulfonamide, N-[5-[3,4-dihydro-4-oxo-3-[3-(1H-pyrazol-1-yl)propyl]-6-quinazolinyl]-2-methoxy-3-pyridinyl]-2,4-difluoro- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 752.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.6±3.0 kJ/mol
Flash Point: 408.6±35.7 °C
Index of Refraction: 1.672
Molar Refractivity: 141.3±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 3.67
ACD/LogD (pH 5.5): 2.99
ACD/BCF (pH 5.5): 108.92
ACD/KOC (pH 5.5): 976.40
ACD/LogD (pH 7.4): 2.17
ACD/BCF (pH 7.4): 16.20
ACD/KOC (pH 7.4): 145.25
Polar Surface Area: 127 Å2
Polarizability: 56.0±0.5 10-24cm3
Surface Tension: 55.6±7.0 dyne/cm
Molar Volume: 377.3±7.0 cm3

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